Basic information
- Standard SMILES
Cc1nc2nccc(C(C)Oc3ccc(Cl)cc3)n2n1- InChIKey
KFSMQDIGWKNFBO-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4O
- Average molar mass
- 288.73 g/mol
Names & identifiers
- Preferred name
- 7-[1-(4-Chlorophenoxy)ethyl]-2-methyl-1,2,4-triazolo [1,5-a]pyrimidine
- IUPAC
- 7-[1-(4-chlorophenoxy)ethyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
Names & synonyms
SCHEMBL7799515KFSMQDIGWKNFBO-UHFFFAOYSA-N7-[1-(4-chlorophenoxy)ethyl]-2-methyl-1,2,4-triazolo [1,5-a]pyrimidine
Database identifiers
- PubChem CID
- 9904052
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Related reactions
1 records
Compound notes
Loading…